SCHEMBL6368772

SCHEMBL6368772

C=C(C)C(=O)OCC.C=CC(=O)OC(O)CC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 11/20 0.40
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
ALDH1A1 P00352 8/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6250404 0.89 TSHR (0.35) THRBTSHRALDH1A1HPGD
SCHEMBL11225909 0.87 TSHR (0.46) THRBTSHRALDH1A1HPGDHSD17B10
SCHEMBL28131551 0.86 ALDH1A1 (0.48) THRBTSHRALDH1A1HPGD
Acrylic Acid Ethyl Ester SCHEMBL8357918 0.85 TSHR (0.46) THRBTSHRNPSR1ALDH1A1HPGD
SCHEMBL5090391 0.84 TSHR (0.36) THRBTSHRALDH1A1HPGD
Acrylic Acid SCHEMBL12150071 0.84 TSHR (0.33) THRBTSHRALDH1A1HPGDHSD17B10
SCHEMBL11268387 0.84 TSHR (0.46) THRBTSHRCYP2D6CYP2C19NPSR1
Methacrylic Acid SCHEMBL8653005 0.83 TSHR (0.36) THRBTSHRALDH1A1HPGDHSD17B10
Methacrylic Acid SCHEMBL27860428 0.83 TSHR (0.36) THRBTSHRALDH1A1HPGDHSD17B10
SCHEMBL3274722 0.83 TSHR (0.48) THRBTSHRALDH1A1HPGDCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050118543-A1 Comprising substrate having thereon light sensitive layer comprising organic silver salt particles, silver halide particles and reducing agent; polyvinylidene chloride layer is provided on substrate and vapor barrier layer comprising latex and wax is provided on outer layer; humidity, blocking resistance KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-06-02 US disclosed